N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide

C9H19ClN2O4S2 — CID 102887444

IUPACN-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)N(C)CCCCl
InChIInChI=1S/C9H19ClN2O4S2/c1-9-8-17(13,14)7-6-12(9)18(15,16)11(2)5-3-4-10/h9H,3-8H2,1-2H3
InChIKeyIOVYORALTJQKRS-UHFFFAOYSA-N
MW318.85 g/mol
LogP-0.09
Rot. Bonds5

About N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide

N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide (PubChem CID 102887444) has the molecular formula C9H19ClN2O4S2 and a molecular weight of 318.85 g/mol. Its IUPAC name is N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide
PubChem CID102887444
Molecular FormulaC9H19ClN2O4S2
Molecular Weight318.85 g/mol
Exact Mass318.05
IUPAC NameN-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)N(C)CCCCl
InChIInChI=1S/C9H19ClN2O4S2/c1-9-8-17(13,14)7-6-12(9)18(15,16)11(2)5-3-4-10/h9H,3-8H2,1-2H3
InChIKeyIOVYORALTJQKRS-UHFFFAOYSA-N
XLogP-0.09
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide?
The IUPAC name of N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide (CID 102887444) is N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide?
The canonical SMILES for N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide is CC1CS(=O)(=O)CCN1S(=O)(=O)N(C)CCCCl.
What is the InChIKey of N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide?
The InChIKey is IOVYORALTJQKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O4S2/c1-9-8-17(13,14)7-6-12(9)18(15,16)11(2)5-3-4-10/h9H,3-8H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide?
N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide has a molecular weight of 318.85 g/mol, XLogP of -0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide is sourced from PubChem (CID 102887444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).